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| Title: Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Slip, Viscosity, and Diffusion |
| Authors: |
| Author Full Names: Sendner, Christian; Horinek, Dominik; Bocquet, Lyderic; Netz, Roland R. |
| Source: LANGMUIR 25 (18): 10768-10781 SEP 15 2009 |
| Language: English |
| Document Type: Article |
| KeyWords Plus: HYDRODYNAMIC BOUNDARY-CONDITIONS; MOLECULAR-DYNAMICS SIMULATIONS; SELF-ASSEMBLED MONOLAYERS; PARTICLE MESH EWALD; COMPUTER-SIMULATION; WETTING TRANSITIONS; CONFINED FLUIDS; LIQUID WATER; HYDRATION; PRESSURE |
| Abstract: The dynamics and structure of water at hydrophobic and hydrophilic diamond surfaces is examined via nonequilibrium Molecular Dynamics simulations. For hydrophobic surfaces under shearing conditions, the general hydrodynamic boundary condition involves a finite surface slip, The value of the slip length depends sensitively oil the surface water interaction strength and the surface roughness; heuristic scaling relations between slip length, contact angle, and depletion layer thickness are proposed. Inert gas in the aqueous phase exhibits pronounced surface activity but only mildly increases the slip length. On polar hydrophilic surfaces, in contrast, slip is absent, but the water viscosity is found to be increased within a thin surface layer. The viscosity and the thickness of this surface layer depend on the density of polar surface groups. The dynamics of single water molecules in the Surface layer exhibits a similar distinction: oil hydrophobic surfaces the dynamics is pure! ly diffusive, while close to a hydrophilic surface transient binding or trapping of water molecules over times of the order of hundreds of picoseconds occurs. We also discuss in detail the effect of the Lennard-Jones cutoff length on the interfacial properties. |
| Reprint Address: Sendner, C, Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. |
| Research Institution addresses: [Sendner, Christian; Horinek, Dominik; Netz, Roland R.] Tech Univ Munich, Dept Phys, D-85748 Garching, Germany; [Bocquet, Lyderic] Univ Lyon 1, LPMCN, F-69622 Villeurbanne, France; [Bocquet, Lyderic] Univ Lyon, CNRS, UMR 5586, F-69622 Villeurbanne, France |
| E-mail Address: csendner@ph.tum.de; netz@ph.tum.de |
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| Cited Reference Count: 87 |
| Times Cited: 0 |
| Publisher: AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA |
| Subject Category: Chemistry, Physical |
| ISSN: 0743-7463 |
| DOI: 10.1021/la901314b |
| IDS Number: 492KR |
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